1-phenyl-N-[(8S,9aS)-1,3,3-trioxo-2-propyloctahydro-1H-3lambda~6~-pyrrolo[2,1-d][1,2,5]thiadiazepin-8-yl]cyclopropane-1-carboxamide
Chemical Structure Depiction of
1-phenyl-N-[(8S,9aS)-1,3,3-trioxo-2-propyloctahydro-1H-3lambda~6~-pyrrolo[2,1-d][1,2,5]thiadiazepin-8-yl]cyclopropane-1-carboxamide
1-phenyl-N-[(8S,9aS)-1,3,3-trioxo-2-propyloctahydro-1H-3lambda~6~-pyrrolo[2,1-d][1,2,5]thiadiazepin-8-yl]cyclopropane-1-carboxamide
Compound characteristics
| Compound ID: | S740-0941 |
| Compound Name: | 1-phenyl-N-[(8S,9aS)-1,3,3-trioxo-2-propyloctahydro-1H-3lambda~6~-pyrrolo[2,1-d][1,2,5]thiadiazepin-8-yl]cyclopropane-1-carboxamide |
| Molecular Weight: | 405.51 |
| Molecular Formula: | C20 H27 N3 O4 S |
| Smiles: | CCCN1C([C@@H]2C[C@@H](CN2CCS1(=O)=O)NC(C1(CC1)c1ccccc1)=O)=O |
| Stereo: | ABSOLUTE |
| logP: | 0.6425 |
| logD: | 0.6422 |
| logSw: | -2.2684 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.465 |
| InChI Key: | ZADVLMHVFOWVQO-IAGOWNOFSA-N |